N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide

C15H18N2O5 — CID 11854018

IUPACN-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1
InChIInChI=1S/C15H18N2O5/c1-17(2)5-3-4-16-15(21)13-8-11(20)14-10(19)6-9(18)7-12(14)22-13/h6-8,18-19H,3-5H2,1-2H3,(H,16,21)
InChIKeyVKEWMIVDQJUVCC-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.89
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide

N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide (PubChem CID 11854018) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide
PubChem CID11854018
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1
InChIInChI=1S/C15H18N2O5/c1-17(2)5-3-4-16-15(21)13-8-11(20)14-10(19)6-9(18)7-12(14)22-13/h6-8,18-19H,3-5H2,1-2H3,(H,16,21)
InChIKeyVKEWMIVDQJUVCC-UHFFFAOYSA-N
XLogP0.89
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11853766
N-[3-[benzyl(methyl)amino]propyl]-5-hydroxy-4-oxochromene-2-carboxamide
CID 118727383
N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
CID 11854024
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methylpropyl)acetamide
CID 6221816
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide (CID 11854018) is N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide is CN(C)CCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide?
The InChIKey is VKEWMIVDQJUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-17(2)5-3-4-16-15(21)13-8-11(20)14-10(19)6-9(18)7-12(14)22-13/h6-8,18-19H,3-5H2,1-2H3,(H,16,21).
What are the key properties of N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide?
N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11854018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).